Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ad5acbc7c4ba651367d56837a4396cd7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.52,
"b": 67.97,
"c": 40.34,
"alpha": 90.00,
"beta": 93.28,
"gamma": 90.00
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.41,1.28],
"number_observations_unique": 52848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 21.1
},
{
"type": "Completeness",
"value": 96.7
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.31,1.28],
"number_observations_unique": 3624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "R(meas)",
"value": 0.312
},
{
"type": "R(pim)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 8.6
},
{
"type": "Completeness",
"value": 89.6
},
{
"type": "Redundancy",
"value": 5.1
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
}
]
}